(2-propyl-1,3-thiazol-4-yl)methanamine

• ChemBase ID: 308141
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(csc1CCC)CN
• Canonical SMILES: CCCc1scc(n1)CN
• InChI: InChI=1S/C7H12N2S/c1-2-3-7-9-6(4-8)5-10-7/h5H,2-4,8H2,1H3
• InChIKey: ROUXKFOZFGKLNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-propyl-1,3-thiazol-4-yl)methanamine
• IUPAC Traditional name: (2-propyl-1,3-thiazol-4-yl)methanamine
• Synonyms: 1-(2-propyl-1,3-thiazol-4-yl)methanamine

Database IDs

• CAS Number: 933697-93-9
• MDL Number: MFCD09971272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4791971
• LogD (pH = 7.4): 0.17866257
• Log P: 1.1074482
• Molar Refractivity: 42.8862 cm^3
• Polarizability: 16.909649 Å^3
• Polar Surface Area: 38.91 Å^2